USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -0.183 K(o=-2.2,f=-3.5!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.01 K(o=-2.2,f=-3.8!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -166:sc= -0.0422 (180deg=-0.202) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 11 TYR OH : rot 139:sc= -0.548 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.1) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 0.276 (180deg=0.0551) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= 0.639 (180deg=0.204!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.2) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.45 F(o=-3.6!,f=-1.5) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.606 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.297 -0.444 -0.710 1.00 0.00 N ATOM 2 CA GLN A 1 1.471 -0.987 -2.051 1.00 0.00 C ATOM 3 C GLN A 1 2.862 -0.670 -2.590 1.00 0.00 C ATOM 4 O GLN A 1 3.428 -1.438 -3.368 1.00 0.00 O ATOM 5 CB GLN A 1 0.406 -0.426 -2.994 1.00 0.00 C ATOM 6 CG GLN A 1 -0.993 -0.951 -2.712 1.00 0.00 C ATOM 7 CD GLN A 1 -2.000 -0.522 -3.761 1.00 0.00 C ATOM 8 OE1 GLN A 1 -2.007 -1.038 -4.879 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.858 0.428 -3.406 1.00 0.00 N ATOM 0 H1 GLN A 1 0.452 -0.864 -0.272 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.133 -0.668 -0.134 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.181 0.588 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 1 1.361 -2.070 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 1 0.400 0.661 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.677 -0.670 -4.021 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.966 -2.040 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.320 -0.597 -1.734 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -2.817 0.828 -2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -3.558 0.757 -4.071 1.00 0.00 H new ATOM 18 N ASP A 2 3.408 0.467 -2.173 1.00 0.00 N ATOM 19 CA ASP A 2 4.733 0.887 -2.613 1.00 0.00 C ATOM 20 C ASP A 2 5.788 0.541 -1.567 1.00 0.00 C ATOM 21 O ASP A 2 6.593 1.387 -1.177 1.00 0.00 O ATOM 22 CB ASP A 2 4.749 2.390 -2.893 1.00 0.00 C ATOM 23 CG ASP A 2 3.633 2.817 -3.826 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.053 1.939 -4.499 1.00 0.00 O ATOM 25 OD2 ASP A 2 3.338 4.029 -3.883 1.00 0.00 O ATOM 0 H ASP A 2 2.953 1.115 -1.530 1.00 0.00 H new ATOM 0 HA ASP A 2 4.969 0.352 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.660 2.933 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.709 2.665 -3.330 1.00 0.00 H new ATOM 30 N LYS A 3 5.778 -0.709 -1.115 1.00 0.00 N ATOM 31 CA LYS A 3 6.734 -1.168 -0.114 1.00 0.00 C ATOM 32 C LYS A 3 7.582 -2.314 -0.657 1.00 0.00 C ATOM 33 O LYS A 3 8.359 -2.926 0.076 1.00 0.00 O ATOM 34 CB LYS A 3 6.000 -1.618 1.152 1.00 0.00 C ATOM 35 CG LYS A 3 4.957 -2.693 0.901 1.00 0.00 C ATOM 36 CD LYS A 3 4.214 -3.057 2.175 1.00 0.00 C ATOM 37 CE LYS A 3 3.800 -4.520 2.181 1.00 0.00 C ATOM 38 NZ LYS A 3 3.671 -5.055 3.565 1.00 0.00 N ATOM 0 H LYS A 3 5.118 -1.422 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 3 7.394 -0.336 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.729 -1.992 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.517 -0.754 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.247 -2.344 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.440 -3.581 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.848 -2.854 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.330 -2.427 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.849 -4.630 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.535 -5.108 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.387 -6.055 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.585 -4.973 4.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.951 -4.511 4.082 1.00 0.00 H new ATOM 52 N CYS A 4 7.429 -2.598 -1.946 1.00 0.00 N ATOM 53 CA CYS A 4 8.181 -3.669 -2.588 1.00 0.00 C ATOM 54 C CYS A 4 8.904 -3.157 -3.831 1.00 0.00 C ATOM 55 O CYS A 4 8.338 -2.407 -4.627 1.00 0.00 O ATOM 56 CB CYS A 4 7.248 -4.821 -2.965 1.00 0.00 C ATOM 57 SG CYS A 4 5.687 -4.290 -3.739 1.00 0.00 S ATOM 0 H CYS A 4 6.790 -2.101 -2.567 1.00 0.00 H new ATOM 0 HA CYS A 4 8.926 -4.031 -1.879 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.771 -5.489 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.019 -5.397 -2.069 1.00 0.00 H new ATOM 62 N LYS A 5 10.157 -3.567 -3.991 1.00 0.00 N ATOM 63 CA LYS A 5 10.958 -3.153 -5.136 1.00 0.00 C ATOM 64 C LYS A 5 12.234 -3.982 -5.237 1.00 0.00 C ATOM 65 O LYS A 5 12.558 -4.754 -4.334 1.00 0.00 O ATOM 66 CB LYS A 5 11.310 -1.667 -5.028 1.00 0.00 C ATOM 67 CG LYS A 5 12.351 -1.365 -3.964 1.00 0.00 C ATOM 68 CD LYS A 5 11.793 -0.460 -2.879 1.00 0.00 C ATOM 69 CE LYS A 5 12.802 0.599 -2.463 1.00 0.00 C ATOM 70 NZ LYS A 5 13.751 0.088 -1.435 1.00 0.00 N ATOM 0 H LYS A 5 10.640 -4.187 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 5 10.368 -3.316 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.677 -1.318 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.404 -1.102 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.698 -2.297 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.217 -0.890 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.884 0.023 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.514 -1.059 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.360 0.933 -3.338 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.275 1.468 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.422 0.840 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.222 -0.207 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.273 -0.726 -1.818 1.00 0.00 H new ATOM 84 N LYS A 6 12.956 -3.817 -6.340 1.00 0.00 N ATOM 85 CA LYS A 6 14.199 -4.548 -6.558 1.00 0.00 C ATOM 86 C LYS A 6 15.205 -3.694 -7.324 1.00 0.00 C ATOM 87 O LYS A 6 15.003 -3.381 -8.497 1.00 0.00 O ATOM 88 CB LYS A 6 13.925 -5.843 -7.325 1.00 0.00 C ATOM 89 CG LYS A 6 13.209 -6.899 -6.500 1.00 0.00 C ATOM 90 CD LYS A 6 13.199 -8.245 -7.205 1.00 0.00 C ATOM 91 CE LYS A 6 14.464 -9.037 -6.912 1.00 0.00 C ATOM 92 NZ LYS A 6 14.516 -10.306 -7.690 1.00 0.00 N ATOM 0 H LYS A 6 12.702 -3.183 -7.098 1.00 0.00 H new ATOM 0 HA LYS A 6 14.623 -4.793 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.325 -5.614 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.871 -6.252 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.698 -6.998 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.185 -6.580 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.328 -8.817 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.104 -8.093 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.337 -8.429 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.513 -9.262 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.393 -10.817 -7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.697 -10.898 -7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.495 -10.091 -8.707 1.00 0.00 H new ATOM 106 N VAL A 7 16.291 -3.323 -6.653 1.00 0.00 N ATOM 107 CA VAL A 7 17.330 -2.508 -7.271 1.00 0.00 C ATOM 108 C VAL A 7 18.079 -3.292 -8.342 1.00 0.00 C ATOM 109 O VAL A 7 18.334 -4.487 -8.187 1.00 0.00 O ATOM 110 CB VAL A 7 18.338 -1.995 -6.225 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.181 -3.143 -5.690 1.00 0.00 C ATOM 112 CG2 VAL A 7 19.219 -0.909 -6.823 1.00 0.00 C ATOM 0 H VAL A 7 16.474 -3.574 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 7 16.831 -1.655 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 7 17.784 -1.563 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.888 -2.763 -4.952 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.532 -3.884 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.728 -3.606 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.925 -0.558 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.767 -1.313 -7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.597 -0.077 -7.153 1.00 0.00 H new ATOM 122 N TYR A 8 18.431 -2.613 -9.428 1.00 0.00 N ATOM 123 CA TYR A 8 19.150 -3.247 -10.526 1.00 0.00 C ATOM 124 C TYR A 8 20.558 -2.673 -10.659 1.00 0.00 C ATOM 125 O TYR A 8 20.779 -1.705 -11.386 1.00 0.00 O ATOM 126 CB TYR A 8 18.386 -3.061 -11.838 1.00 0.00 C ATOM 127 CG TYR A 8 18.787 -4.042 -12.917 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.974 -5.388 -12.625 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.979 -3.624 -14.228 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.341 -6.287 -13.607 1.00 0.00 C ATOM 131 CE2 TYR A 8 19.345 -4.516 -15.216 1.00 0.00 C ATOM 132 CZ TYR A 8 19.525 -5.847 -14.901 1.00 0.00 C ATOM 133 OH TYR A 8 19.890 -6.740 -15.882 1.00 0.00 O ATOM 0 H TYR A 8 18.230 -1.623 -9.571 1.00 0.00 H new ATOM 0 HA TYR A 8 19.230 -4.312 -10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.318 -3.163 -11.644 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.548 -2.047 -12.202 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.830 -5.737 -11.613 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.839 -2.583 -14.479 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.483 -7.329 -13.363 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.490 -4.174 -16.230 1.00 0.00 H new ATOM 0 HH TYR A 8 19.977 -6.269 -16.737 1.00 0.00 H new ATOM 143 N GLU A 9 21.506 -3.279 -9.950 1.00 0.00 N ATOM 144 CA GLU A 9 22.892 -2.828 -9.988 1.00 0.00 C ATOM 145 C GLU A 9 23.501 -3.057 -11.369 1.00 0.00 C ATOM 146 O GLU A 9 24.573 -2.541 -11.679 1.00 0.00 O ATOM 147 CB GLU A 9 23.718 -3.558 -8.927 1.00 0.00 C ATOM 148 CG GLU A 9 23.042 -3.624 -7.568 1.00 0.00 C ATOM 149 CD GLU A 9 23.971 -4.120 -6.478 1.00 0.00 C ATOM 150 OE1 GLU A 9 25.203 -4.050 -6.670 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.466 -4.578 -5.431 1.00 0.00 O ATOM 0 H GLU A 9 21.339 -4.082 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 9 22.905 -1.759 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.922 -4.572 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.681 -3.058 -8.821 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.672 -2.634 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.175 -4.282 -7.629 1.00 0.00 H new ATOM 158 N ASN A 10 22.807 -3.836 -12.193 1.00 0.00 N ATOM 159 CA ASN A 10 23.279 -4.135 -13.540 1.00 0.00 C ATOM 160 C ASN A 10 22.717 -3.137 -14.548 1.00 0.00 C ATOM 161 O ASN A 10 22.233 -3.520 -15.613 1.00 0.00 O ATOM 162 CB ASN A 10 22.881 -5.558 -13.939 1.00 0.00 C ATOM 163 CG ASN A 10 23.818 -6.602 -13.365 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.065 -6.525 -12.062 1.00 0.00 O flip ATOM 165 ND2 ASN A 10 24.315 -7.469 -14.085 1.00 0.00 N flip ATOM 0 H ASN A 10 21.917 -4.271 -11.952 1.00 0.00 H new ATOM 0 HA ASN A 10 24.366 -4.054 -13.543 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.865 -5.758 -13.597 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.873 -5.639 -15.026 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.098 -7.491 -15.081 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.944 -8.165 -13.685 1.00 0.00 H new ATOM 172 N TYR A 11 22.786 -1.855 -14.204 1.00 0.00 N ATOM 173 CA TYR A 11 22.282 -0.802 -15.077 1.00 0.00 C ATOM 174 C TYR A 11 23.085 0.484 -14.898 1.00 0.00 C ATOM 175 O TYR A 11 23.480 0.851 -13.791 1.00 0.00 O ATOM 176 CB TYR A 11 20.803 -0.536 -14.790 1.00 0.00 C ATOM 177 CG TYR A 11 19.964 -0.379 -16.038 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.779 -1.442 -16.913 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.355 0.832 -16.341 1.00 0.00 C ATOM 180 CE1 TYR A 11 19.013 -1.303 -18.054 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.586 0.980 -17.479 1.00 0.00 C ATOM 182 CZ TYR A 11 18.419 -0.090 -18.333 1.00 0.00 C ATOM 183 OH TYR A 11 17.654 0.052 -19.468 1.00 0.00 O ATOM 0 H TYR A 11 23.186 -1.521 -13.327 1.00 0.00 H new ATOM 0 HA TYR A 11 22.390 -1.137 -16.108 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.404 -1.357 -14.194 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.715 0.368 -14.187 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.242 -2.394 -16.697 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.485 1.672 -15.675 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.880 -2.140 -18.724 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.118 1.928 -17.699 1.00 0.00 H new ATOM 0 HH TYR A 11 16.859 0.586 -19.262 1.00 0.00 H new ATOM 193 N PRO A 12 23.332 1.185 -16.014 1.00 0.00 N ATOM 194 CA PRO A 12 24.088 2.441 -16.008 1.00 0.00 C ATOM 195 C PRO A 12 23.318 3.579 -15.346 1.00 0.00 C ATOM 196 O PRO A 12 22.206 3.910 -15.756 1.00 0.00 O ATOM 197 CB PRO A 12 24.301 2.734 -17.496 1.00 0.00 C ATOM 198 CG PRO A 12 23.178 2.038 -18.183 1.00 0.00 C ATOM 199 CD PRO A 12 22.892 0.807 -17.367 1.00 0.00 C ATOM 0 HA PRO A 12 25.014 2.356 -15.439 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.284 3.806 -17.695 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.266 2.362 -17.839 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.299 2.680 -18.242 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.449 1.774 -19.205 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.833 0.548 -17.388 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.439 -0.059 -17.740 1.00 0.00 H new ATOM 207 N VAL A 13 23.918 4.174 -14.320 1.00 0.00 N ATOM 208 CA VAL A 13 23.288 5.276 -13.602 1.00 0.00 C ATOM 209 C VAL A 13 23.023 6.456 -14.530 1.00 0.00 C ATOM 210 O VAL A 13 22.209 7.328 -14.225 1.00 0.00 O ATOM 211 CB VAL A 13 24.161 5.750 -12.424 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.586 4.568 -11.565 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.375 6.512 -12.934 1.00 0.00 C ATOM 0 H VAL A 13 24.839 3.912 -13.968 1.00 0.00 H new ATOM 0 HA VAL A 13 22.340 4.901 -13.215 1.00 0.00 H new ATOM 0 HB VAL A 13 23.570 6.425 -11.805 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.202 4.922 -10.738 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.701 4.068 -11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.160 3.866 -12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.980 6.839 -12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.969 5.862 -13.576 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.046 7.381 -13.503 1.00 0.00 H new ATOM 223 N SER A 14 23.714 6.477 -15.665 1.00 0.00 N ATOM 224 CA SER A 14 23.555 7.552 -16.637 1.00 0.00 C ATOM 225 C SER A 14 22.156 7.532 -17.245 1.00 0.00 C ATOM 226 O SER A 14 21.452 8.542 -17.246 1.00 0.00 O ATOM 227 CB SER A 14 24.606 7.429 -17.742 1.00 0.00 C ATOM 228 OG SER A 14 25.451 8.566 -17.772 1.00 0.00 O ATOM 0 H SER A 14 24.389 5.762 -15.934 1.00 0.00 H new ATOM 0 HA SER A 14 23.693 8.501 -16.118 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.204 6.532 -17.581 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.112 7.314 -18.707 1.00 0.00 H new ATOM 0 HG SER A 14 26.115 8.462 -18.486 1.00 0.00 H new ATOM 234 N LYS A 15 21.760 6.375 -17.763 1.00 0.00 N ATOM 235 CA LYS A 15 20.445 6.220 -18.374 1.00 0.00 C ATOM 236 C LYS A 15 19.339 6.544 -17.374 1.00 0.00 C ATOM 237 O LYS A 15 18.232 6.921 -17.759 1.00 0.00 O ATOM 238 CB LYS A 15 20.269 4.793 -18.900 1.00 0.00 C ATOM 239 CG LYS A 15 20.432 4.676 -20.405 1.00 0.00 C ATOM 240 CD LYS A 15 19.788 3.407 -20.939 1.00 0.00 C ATOM 241 CE LYS A 15 20.801 2.527 -21.656 1.00 0.00 C ATOM 242 NZ LYS A 15 20.181 1.771 -22.779 1.00 0.00 N ATOM 0 H LYS A 15 22.331 5.530 -17.772 1.00 0.00 H new ATOM 0 HA LYS A 15 20.374 6.919 -19.207 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.995 4.143 -18.413 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.279 4.431 -18.621 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.984 5.544 -20.889 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.492 4.682 -20.659 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.340 2.851 -20.116 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.981 3.668 -21.624 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.613 3.145 -22.039 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.241 1.827 -20.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.903 1.183 -23.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.423 1.162 -22.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.783 2.439 -23.470 1.00 0.00 H new ATOM 256 N CYS A 16 19.646 6.396 -16.090 1.00 0.00 N ATOM 257 CA CYS A 16 18.679 6.674 -15.035 1.00 0.00 C ATOM 258 C CYS A 16 18.450 8.175 -14.889 1.00 0.00 C ATOM 259 O CYS A 16 17.314 8.646 -14.923 1.00 0.00 O ATOM 260 CB CYS A 16 19.160 6.088 -13.706 1.00 0.00 C ATOM 261 SG CYS A 16 18.502 4.428 -13.344 1.00 0.00 S ATOM 0 H CYS A 16 20.558 6.085 -15.755 1.00 0.00 H new ATOM 0 HA CYS A 16 17.734 6.205 -15.310 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.249 6.042 -13.715 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.876 6.764 -12.899 1.00 0.00 H new ATOM 266 N GLN A 17 19.539 8.921 -14.725 1.00 0.00 N ATOM 267 CA GLN A 17 19.456 10.369 -14.573 1.00 0.00 C ATOM 268 C GLN A 17 18.890 11.017 -15.832 1.00 0.00 C ATOM 269 O GLN A 17 18.477 12.177 -15.814 1.00 0.00 O ATOM 270 CB GLN A 17 20.837 10.949 -14.264 1.00 0.00 C ATOM 271 CG GLN A 17 21.389 10.521 -12.914 1.00 0.00 C ATOM 272 CD GLN A 17 22.717 9.798 -13.029 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.501 10.057 -13.942 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.976 8.884 -12.100 1.00 0.00 N ATOM 0 H GLN A 17 20.487 8.547 -14.694 1.00 0.00 H new ATOM 0 HA GLN A 17 18.784 10.584 -13.742 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.533 10.643 -15.045 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.780 12.037 -14.295 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.512 11.400 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.667 9.871 -12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.297 8.702 -11.361 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.854 8.365 -12.126 1.00 0.00 H new ATOM 283 N LEU A 18 18.873 10.261 -16.924 1.00 0.00 N ATOM 284 CA LEU A 18 18.357 10.762 -18.194 1.00 0.00 C ATOM 285 C LEU A 18 16.845 10.957 -18.128 1.00 0.00 C ATOM 286 O LEU A 18 16.078 10.080 -18.525 1.00 0.00 O ATOM 287 CB LEU A 18 18.709 9.797 -19.327 1.00 0.00 C ATOM 288 CG LEU A 18 19.956 10.143 -20.140 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.483 8.911 -20.860 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.653 11.255 -21.134 1.00 0.00 C ATOM 0 H LEU A 18 19.210 9.299 -16.956 1.00 0.00 H new ATOM 0 HA LEU A 18 18.822 11.728 -18.391 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.841 8.802 -18.902 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.860 9.742 -20.008 1.00 0.00 H new ATOM 0 HG LEU A 18 20.727 10.495 -19.455 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.371 9.177 -21.434 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.739 8.144 -20.129 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.717 8.528 -21.534 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.552 11.488 -21.704 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.866 10.930 -21.815 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.324 12.144 -20.596 1.00 0.00 H new ATOM 302 N ARG A 19 16.424 12.113 -17.625 1.00 0.00 N ATOM 303 CA ARG A 19 15.005 12.424 -17.509 1.00 0.00 C ATOM 304 C ARG A 19 14.349 12.496 -18.885 1.00 0.00 C ATOM 305 O ARG A 19 13.135 12.331 -19.014 1.00 0.00 O ATOM 306 CB ARG A 19 14.810 13.749 -16.770 1.00 0.00 C ATOM 307 CG ARG A 19 14.008 13.619 -15.486 1.00 0.00 C ATOM 308 CD ARG A 19 12.564 14.052 -15.684 1.00 0.00 C ATOM 309 NE ARG A 19 12.367 15.464 -15.370 1.00 0.00 N ATOM 310 CZ ARG A 19 11.174 16.044 -15.307 1.00 0.00 C ATOM 311 NH1 ARG A 19 10.076 15.337 -15.537 1.00 0.00 N ATOM 312 NH2 ARG A 19 11.077 17.335 -15.015 1.00 0.00 N ATOM 0 H ARG A 19 17.046 12.849 -17.291 1.00 0.00 H new ATOM 0 HA ARG A 19 14.530 11.625 -16.940 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.787 14.172 -16.537 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.307 14.454 -17.432 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.035 12.585 -15.142 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.467 14.226 -14.706 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.268 13.866 -16.716 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.914 13.446 -15.052 1.00 0.00 H new ATOM 0 HE ARG A 19 13.191 16.037 -15.189 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.146 14.345 -15.763 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.161 15.785 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.919 17.883 -14.839 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.160 17.780 -14.967 1.00 0.00 H new ATOM 326 N ILE A 20 15.159 12.742 -19.909 1.00 0.00 N ATOM 327 CA ILE A 20 14.658 12.834 -21.274 1.00 0.00 C ATOM 328 C ILE A 20 14.398 11.450 -21.859 1.00 0.00 C ATOM 329 O ILE A 20 13.526 11.279 -22.710 1.00 0.00 O ATOM 330 CB ILE A 20 15.644 13.587 -22.186 1.00 0.00 C ATOM 331 CG1 ILE A 20 16.147 14.855 -21.493 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.983 13.929 -23.513 1.00 0.00 C ATOM 333 CD1 ILE A 20 17.119 15.656 -22.330 1.00 0.00 C ATOM 0 H ILE A 20 16.165 12.881 -19.819 1.00 0.00 H new ATOM 0 HA ILE A 20 13.721 13.389 -21.229 1.00 0.00 H new ATOM 0 HB ILE A 20 16.499 12.940 -22.384 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.293 15.484 -21.240 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.629 14.580 -20.555 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.693 14.461 -24.147 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.670 13.011 -24.011 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.113 14.560 -23.334 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.433 16.540 -21.776 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.991 15.044 -22.561 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.634 15.962 -23.257 1.00 0.00 H new ATOM 345 N ALA A 21 15.159 10.465 -21.395 1.00 0.00 N ATOM 346 CA ALA A 21 15.008 9.094 -21.868 1.00 0.00 C ATOM 347 C ALA A 21 15.290 8.094 -20.753 1.00 0.00 C ATOM 348 O ALA A 21 16.391 7.553 -20.655 1.00 0.00 O ATOM 349 CB ALA A 21 15.930 8.841 -23.053 1.00 0.00 C ATOM 0 H ALA A 21 15.887 10.590 -20.692 1.00 0.00 H new ATOM 0 HA ALA A 21 13.975 8.958 -22.189 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.807 7.814 -23.397 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.679 9.527 -23.862 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.965 9.001 -22.750 1.00 0.00 H new ATOM 355 N ASN A 22 14.289 7.853 -19.913 1.00 0.00 N ATOM 356 CA ASN A 22 14.430 6.917 -18.803 1.00 0.00 C ATOM 357 C ASN A 22 14.216 5.481 -19.272 1.00 0.00 C ATOM 358 O ASN A 22 13.105 4.956 -19.205 1.00 0.00 O ATOM 359 CB ASN A 22 13.434 7.257 -17.693 1.00 0.00 C ATOM 360 CG ASN A 22 13.987 6.964 -16.311 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.191 7.067 -16.077 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.106 6.595 -15.388 1.00 0.00 N ATOM 0 H ASN A 22 13.371 8.293 -19.980 1.00 0.00 H new ATOM 0 HA ASN A 22 15.444 7.005 -18.412 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.167 8.312 -17.759 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.518 6.686 -17.843 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.418 6.384 -14.440 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.117 6.523 -15.627 1.00 0.00 H new ATOM 369 N GLN A 23 15.287 4.852 -19.744 1.00 0.00 N ATOM 370 CA GLN A 23 15.216 3.477 -20.224 1.00 0.00 C ATOM 371 C GLN A 23 15.129 2.498 -19.057 1.00 0.00 C ATOM 372 O GLN A 23 14.966 1.293 -19.255 1.00 0.00 O ATOM 373 CB GLN A 23 16.435 3.152 -21.088 1.00 0.00 C ATOM 374 CG GLN A 23 16.091 2.863 -22.541 1.00 0.00 C ATOM 375 CD GLN A 23 15.604 1.443 -22.754 1.00 0.00 C ATOM 376 OE1 GLN A 23 16.292 0.481 -22.411 1.00 0.00 O ATOM 377 NE2 GLN A 23 14.413 1.304 -23.323 1.00 0.00 N ATOM 0 H GLN A 23 16.214 5.272 -19.804 1.00 0.00 H new ATOM 0 HA GLN A 23 14.315 3.376 -20.828 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.132 3.989 -21.048 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.949 2.288 -20.666 1.00 0.00 H new ATOM 0 HG2 GLN A 23 15.322 3.560 -22.874 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.971 3.038 -23.160 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.877 2.129 -23.591 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.034 0.372 -23.492 1.00 0.00 H new ATOM 386 N CYS A 24 15.240 3.023 -17.841 1.00 0.00 N ATOM 387 CA CYS A 24 15.175 2.196 -16.643 1.00 0.00 C ATOM 388 C CYS A 24 13.781 1.599 -16.468 1.00 0.00 C ATOM 389 O CYS A 24 13.608 0.381 -16.497 1.00 0.00 O ATOM 390 CB CYS A 24 15.547 3.020 -15.409 1.00 0.00 C ATOM 391 SG CYS A 24 15.105 2.232 -13.827 1.00 0.00 S ATOM 0 H CYS A 24 15.375 4.018 -17.660 1.00 0.00 H new ATOM 0 HA CYS A 24 15.889 1.380 -16.756 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.621 3.208 -15.421 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.053 3.990 -15.470 1.00 0.00 H new ATOM 396 N ASN A 25 12.791 2.466 -16.287 1.00 0.00 N ATOM 397 CA ASN A 25 11.412 2.026 -16.107 1.00 0.00 C ATOM 398 C ASN A 25 10.976 1.121 -17.256 1.00 0.00 C ATOM 399 O ASN A 25 10.260 0.141 -17.051 1.00 0.00 O ATOM 400 CB ASN A 25 10.477 3.233 -16.010 1.00 0.00 C ATOM 401 CG ASN A 25 10.331 3.959 -17.334 1.00 0.00 C ATOM 402 OD1 ASN A 25 11.055 4.914 -17.614 1.00 0.00 O ATOM 403 ND2 ASN A 25 9.390 3.507 -18.155 1.00 0.00 N ATOM 0 H ASN A 25 12.917 3.478 -16.261 1.00 0.00 H new ATOM 0 HA ASN A 25 11.357 1.458 -15.179 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.496 2.903 -15.670 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.858 3.925 -15.259 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.244 3.955 -19.060 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.813 2.712 -17.881 1.00 0.00 H new ATOM 410 N TYR A 26 11.412 1.458 -18.465 1.00 0.00 N ATOM 411 CA TYR A 26 11.066 0.678 -19.647 1.00 0.00 C ATOM 412 C TYR A 26 11.781 -0.669 -19.639 1.00 0.00 C ATOM 413 O TYR A 26 11.204 -1.693 -20.007 1.00 0.00 O ATOM 414 CB TYR A 26 11.425 1.451 -20.917 1.00 0.00 C ATOM 415 CG TYR A 26 10.384 1.341 -22.008 1.00 0.00 C ATOM 416 CD1 TYR A 26 10.354 0.242 -22.858 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.430 2.335 -22.188 1.00 0.00 C ATOM 418 CE1 TYR A 26 9.405 0.137 -23.856 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.477 2.238 -23.184 1.00 0.00 C ATOM 420 CZ TYR A 26 8.469 1.137 -24.015 1.00 0.00 C ATOM 421 OH TYR A 26 7.521 1.036 -25.008 1.00 0.00 O ATOM 0 H TYR A 26 12.006 2.266 -18.652 1.00 0.00 H new ATOM 0 HA TYR A 26 9.991 0.498 -19.631 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.565 2.502 -20.665 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.378 1.085 -21.298 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.085 -0.543 -22.736 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.433 3.198 -21.539 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.396 -0.724 -24.508 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.743 3.020 -23.311 1.00 0.00 H new ATOM 0 HH TYR A 26 6.937 1.823 -24.984 1.00 0.00 H new ATOM 431 N ASP A 27 13.041 -0.661 -19.218 1.00 0.00 N ATOM 432 CA ASP A 27 13.836 -1.882 -19.160 1.00 0.00 C ATOM 433 C ASP A 27 13.297 -2.832 -18.095 1.00 0.00 C ATOM 434 O ASP A 27 13.254 -4.046 -18.294 1.00 0.00 O ATOM 435 CB ASP A 27 15.300 -1.549 -18.870 1.00 0.00 C ATOM 436 CG ASP A 27 16.072 -2.743 -18.342 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.581 -3.531 -19.166 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.166 -2.889 -17.105 1.00 0.00 O ATOM 0 H ASP A 27 13.534 0.178 -18.912 1.00 0.00 H new ATOM 0 HA ASP A 27 13.769 -2.376 -20.129 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.775 -1.187 -19.782 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.348 -0.738 -18.143 1.00 0.00 H new ATOM 443 N CYS A 28 12.886 -2.271 -16.962 1.00 0.00 N ATOM 444 CA CYS A 28 12.351 -3.066 -15.864 1.00 0.00 C ATOM 445 C CYS A 28 11.201 -3.949 -16.342 1.00 0.00 C ATOM 446 O CYS A 28 11.258 -5.174 -16.235 1.00 0.00 O ATOM 447 CB CYS A 28 11.873 -2.155 -14.732 1.00 0.00 C ATOM 448 SG CYS A 28 13.206 -1.562 -13.642 1.00 0.00 S ATOM 0 H CYS A 28 12.914 -1.268 -16.781 1.00 0.00 H new ATOM 0 HA CYS A 28 13.149 -3.708 -15.491 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.362 -1.295 -15.164 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.140 -2.694 -14.132 1.00 0.00 H new ATOM 453 N LYS A 29 10.158 -3.317 -16.869 1.00 0.00 N ATOM 454 CA LYS A 29 8.994 -4.043 -17.365 1.00 0.00 C ATOM 455 C LYS A 29 9.373 -4.942 -18.537 1.00 0.00 C ATOM 456 O LYS A 29 8.764 -5.991 -18.751 1.00 0.00 O ATOM 457 CB LYS A 29 7.901 -3.062 -17.793 1.00 0.00 C ATOM 458 CG LYS A 29 7.562 -2.028 -16.733 1.00 0.00 C ATOM 459 CD LYS A 29 6.967 -0.773 -17.349 1.00 0.00 C ATOM 460 CE LYS A 29 5.515 -0.984 -17.751 1.00 0.00 C ATOM 461 NZ LYS A 29 4.619 0.047 -17.158 1.00 0.00 N ATOM 0 H LYS A 29 10.095 -2.303 -16.964 1.00 0.00 H new ATOM 0 HA LYS A 29 8.615 -4.669 -16.557 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.220 -2.549 -18.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.000 -3.622 -18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.856 -2.454 -16.020 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.462 -1.769 -16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.033 0.049 -16.637 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.550 -0.484 -18.224 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.431 -0.956 -18.837 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.190 -1.974 -17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.725 0.076 -17.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.425 -0.192 -16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.081 0.978 -17.207 1.00 0.00 H new ATOM 475 N LEU A 30 10.383 -4.526 -19.294 1.00 0.00 N ATOM 476 CA LEU A 30 10.844 -5.295 -20.445 1.00 0.00 C ATOM 477 C LEU A 30 11.211 -6.718 -20.037 1.00 0.00 C ATOM 478 O LEU A 30 10.754 -7.686 -20.645 1.00 0.00 O ATOM 479 CB LEU A 30 12.050 -4.610 -21.090 1.00 0.00 C ATOM 480 CG LEU A 30 12.393 -5.055 -22.512 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.756 -3.856 -23.374 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.530 -6.066 -22.495 1.00 0.00 C ATOM 0 H LEU A 30 10.898 -3.661 -19.131 1.00 0.00 H new ATOM 0 HA LEU A 30 10.031 -5.343 -21.169 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.869 -3.535 -21.101 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.921 -4.781 -20.457 1.00 0.00 H new ATOM 0 HG LEU A 30 11.514 -5.534 -22.944 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.997 -4.192 -24.382 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.912 -3.167 -23.413 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.619 -3.348 -22.945 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.761 -6.371 -23.516 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.413 -5.613 -22.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.232 -6.939 -21.914 1.00 0.00 H new ATOM 494 N ASP A 31 12.036 -6.837 -19.003 1.00 0.00 N ATOM 495 CA ASP A 31 12.462 -8.143 -18.511 1.00 0.00 C ATOM 496 C ASP A 31 11.816 -8.453 -17.164 1.00 0.00 C ATOM 497 O ASP A 31 10.951 -9.324 -17.064 1.00 0.00 O ATOM 498 CB ASP A 31 13.985 -8.191 -18.383 1.00 0.00 C ATOM 499 CG ASP A 31 14.638 -8.948 -19.523 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.521 -10.191 -19.553 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.266 -8.298 -20.385 1.00 0.00 O ATOM 0 H ASP A 31 12.423 -6.046 -18.489 1.00 0.00 H new ATOM 0 HA ASP A 31 12.142 -8.897 -19.230 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.377 -7.174 -18.354 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.253 -8.662 -17.437 1.00 0.00 H new ATOM 506 N LYS A 32 12.242 -7.736 -16.130 1.00 0.00 N ATOM 507 CA LYS A 32 11.707 -7.934 -14.789 1.00 0.00 C ATOM 508 C LYS A 32 10.181 -7.949 -14.809 1.00 0.00 C ATOM 509 O LYS A 32 9.547 -8.634 -14.006 1.00 0.00 O ATOM 510 CB LYS A 32 12.204 -6.831 -13.851 1.00 0.00 C ATOM 511 CG LYS A 32 13.711 -6.645 -13.877 1.00 0.00 C ATOM 512 CD LYS A 32 14.272 -6.442 -12.479 1.00 0.00 C ATOM 513 CE LYS A 32 15.765 -6.155 -12.514 1.00 0.00 C ATOM 514 NZ LYS A 32 16.306 -5.867 -11.157 1.00 0.00 N ATOM 0 H LYS A 32 12.957 -7.012 -16.195 1.00 0.00 H new ATOM 0 HA LYS A 32 12.058 -8.899 -14.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.725 -5.890 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.892 -7.064 -12.833 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.178 -7.517 -14.334 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.962 -5.786 -14.499 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.753 -5.615 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.085 -7.332 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.289 -7.010 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.956 -5.305 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.255 -5.449 -11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.677 -5.199 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.365 -6.751 -10.612 1.00 0.00 H new ATOM 528 N HIS A 33 9.599 -7.190 -15.731 1.00 0.00 N ATOM 529 CA HIS A 33 8.147 -7.118 -15.857 1.00 0.00 C ATOM 530 C HIS A 33 7.527 -6.461 -14.627 1.00 0.00 C ATOM 531 O HIS A 33 6.406 -6.784 -14.238 1.00 0.00 O ATOM 532 CB HIS A 33 7.561 -8.517 -16.052 1.00 0.00 C ATOM 533 CG HIS A 33 6.463 -8.570 -17.069 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.564 -9.277 -18.249 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.236 -7.999 -17.078 1.00 0.00 C ATOM 536 CE1 HIS A 33 5.446 -9.138 -18.939 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.624 -8.367 -18.251 1.00 0.00 N ATOM 0 H HIS A 33 10.110 -6.616 -16.402 1.00 0.00 H new ATOM 0 HA HIS A 33 7.912 -6.509 -16.730 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.358 -9.197 -16.354 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.179 -8.878 -15.097 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.816 -7.371 -16.306 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.239 -9.580 -19.902 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.687 -8.090 -18.543 1.00 0.00 H new ATOM 545 N ALA A 34 8.266 -5.538 -14.020 1.00 0.00 N ATOM 546 CA ALA A 34 7.788 -4.834 -12.836 1.00 0.00 C ATOM 547 C ALA A 34 6.516 -4.051 -13.139 1.00 0.00 C ATOM 548 O ALA A 34 5.963 -4.146 -14.235 1.00 0.00 O ATOM 549 CB ALA A 34 8.868 -3.905 -12.303 1.00 0.00 C ATOM 0 H ALA A 34 9.198 -5.260 -14.328 1.00 0.00 H new ATOM 0 HA ALA A 34 7.553 -5.576 -12.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.498 -3.386 -11.419 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.751 -4.487 -12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.131 -3.175 -13.069 1.00 0.00 H new ATOM 555 N ARG A 35 6.055 -3.278 -12.161 1.00 0.00 N ATOM 556 CA ARG A 35 4.846 -2.480 -12.323 1.00 0.00 C ATOM 557 C ARG A 35 5.101 -1.287 -13.241 1.00 0.00 C ATOM 558 O ARG A 35 4.446 -1.134 -14.272 1.00 0.00 O ATOM 559 CB ARG A 35 4.345 -1.992 -10.962 1.00 0.00 C ATOM 560 CG ARG A 35 4.515 -3.013 -9.849 1.00 0.00 C ATOM 561 CD ARG A 35 3.933 -4.363 -10.238 1.00 0.00 C ATOM 562 NE ARG A 35 2.548 -4.254 -10.686 1.00 0.00 N ATOM 563 CZ ARG A 35 1.534 -3.967 -9.876 1.00 0.00 C ATOM 564 NH1 ARG A 35 1.751 -3.763 -8.584 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.301 -3.885 -10.358 1.00 0.00 N ATOM 0 H ARG A 35 6.501 -3.188 -11.248 1.00 0.00 H new ATOM 0 HA ARG A 35 4.083 -3.111 -12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.880 -1.081 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.290 -1.730 -11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.574 -3.126 -9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.026 -2.652 -8.944 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.537 -4.803 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.986 -5.040 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 35 2.347 -4.406 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.698 -3.826 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.971 -3.543 -7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.130 -4.042 -11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.476 -3.665 -9.735 1.00 0.00 H new ATOM 579 N SER A 36 6.055 -0.445 -12.857 1.00 0.00 N ATOM 580 CA SER A 36 6.393 0.736 -13.643 1.00 0.00 C ATOM 581 C SER A 36 7.906 0.889 -13.770 1.00 0.00 C ATOM 582 O SER A 36 8.435 1.050 -14.869 1.00 0.00 O ATOM 583 CB SER A 36 5.794 1.989 -13.002 1.00 0.00 C ATOM 584 OG SER A 36 4.542 2.310 -13.583 1.00 0.00 O ATOM 0 H SER A 36 6.607 -0.558 -12.007 1.00 0.00 H new ATOM 0 HA SER A 36 5.973 0.611 -14.641 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.671 1.830 -11.931 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.480 2.827 -13.123 1.00 0.00 H new ATOM 0 HG SER A 36 4.179 3.113 -13.155 1.00 0.00 H new ATOM 590 N GLY A 37 8.597 0.838 -12.635 1.00 0.00 N ATOM 591 CA GLY A 37 10.042 0.973 -12.639 1.00 0.00 C ATOM 592 C GLY A 37 10.489 2.417 -12.532 1.00 0.00 C ATOM 593 O GLY A 37 9.943 3.294 -13.201 1.00 0.00 O ATOM 0 H GLY A 37 8.182 0.706 -11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.459 0.404 -11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.442 0.539 -13.555 1.00 0.00 H new ATOM 597 N GLU A 38 11.486 2.666 -11.688 1.00 0.00 N ATOM 598 CA GLU A 38 12.004 4.015 -11.494 1.00 0.00 C ATOM 599 C GLU A 38 13.437 3.977 -10.972 1.00 0.00 C ATOM 600 O GLU A 38 13.920 2.937 -10.523 1.00 0.00 O ATOM 601 CB GLU A 38 11.115 4.792 -10.520 1.00 0.00 C ATOM 602 CG GLU A 38 9.850 5.342 -11.157 1.00 0.00 C ATOM 603 CD GLU A 38 9.152 6.363 -10.280 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.417 5.950 -9.359 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.341 7.575 -10.515 1.00 0.00 O ATOM 0 H GLU A 38 11.951 1.951 -11.128 1.00 0.00 H new ATOM 0 HA GLU A 38 12.000 4.520 -12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.840 4.139 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.688 5.618 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.099 5.800 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.166 4.520 -11.366 1.00 0.00 H new ATOM 612 N CYS A 39 14.114 5.119 -11.036 1.00 0.00 N ATOM 613 CA CYS A 39 15.492 5.219 -10.572 1.00 0.00 C ATOM 614 C CYS A 39 15.576 6.041 -9.289 1.00 0.00 C ATOM 615 O CYS A 39 14.912 7.069 -9.153 1.00 0.00 O ATOM 616 CB CYS A 39 16.372 5.850 -11.653 1.00 0.00 C ATOM 617 SG CYS A 39 16.426 4.907 -13.211 1.00 0.00 S ATOM 0 H CYS A 39 13.730 5.989 -11.405 1.00 0.00 H new ATOM 0 HA CYS A 39 15.852 4.212 -10.362 1.00 0.00 H new ATOM 0 HB2 CYS A 39 16.008 6.856 -11.862 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.386 5.952 -11.267 1.00 0.00 H new ATOM 622 N PHE A 40 16.397 5.581 -8.351 1.00 0.00 N ATOM 623 CA PHE A 40 16.568 6.272 -7.078 1.00 0.00 C ATOM 624 C PHE A 40 17.972 6.050 -6.523 1.00 0.00 C ATOM 625 O PHE A 40 18.667 5.115 -6.920 1.00 0.00 O ATOM 626 CB PHE A 40 15.525 5.790 -6.068 1.00 0.00 C ATOM 627 CG PHE A 40 14.111 6.092 -6.475 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.578 7.357 -6.288 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.316 5.112 -7.046 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.277 7.637 -6.661 1.00 0.00 C ATOM 631 CE2 PHE A 40 12.015 5.386 -7.422 1.00 0.00 C ATOM 632 CZ PHE A 40 11.495 6.651 -7.230 1.00 0.00 C ATOM 0 H PHE A 40 16.955 4.732 -8.448 1.00 0.00 H new ATOM 0 HA PHE A 40 16.430 7.339 -7.251 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.633 4.714 -5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.724 6.255 -5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.186 8.133 -5.846 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.718 4.121 -7.199 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.872 8.626 -6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.406 4.612 -7.865 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.479 6.869 -7.524 1.00 0.00 H new ATOM 642 N TYR A 41 18.381 6.916 -5.603 1.00 0.00 N ATOM 643 CA TYR A 41 19.703 6.817 -4.994 1.00 0.00 C ATOM 644 C TYR A 41 19.706 5.794 -3.863 1.00 0.00 C ATOM 645 O TYR A 41 18.675 5.535 -3.242 1.00 0.00 O ATOM 646 CB TYR A 41 20.146 8.182 -4.464 1.00 0.00 C ATOM 647 CG TYR A 41 20.551 9.151 -5.551 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.856 9.187 -6.026 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.629 10.032 -6.102 1.00 0.00 C ATOM 650 CE1 TYR A 41 22.231 10.072 -7.019 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.994 10.919 -7.096 1.00 0.00 C ATOM 652 CZ TYR A 41 21.296 10.936 -7.551 1.00 0.00 C ATOM 653 OH TYR A 41 21.664 11.819 -8.540 1.00 0.00 O ATOM 0 H TYR A 41 17.817 7.694 -5.262 1.00 0.00 H new ATOM 0 HA TYR A 41 20.405 6.487 -5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.333 8.619 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.985 8.043 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.590 8.512 -5.612 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.609 10.023 -5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 41 23.250 10.087 -7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.264 11.596 -7.515 1.00 0.00 H new ATOM 0 HH TYR A 41 20.888 12.355 -8.805 1.00 0.00 H new ATOM 663 N ASP A 42 20.873 5.215 -3.601 1.00 0.00 N ATOM 664 CA ASP A 42 21.013 4.221 -2.544 1.00 0.00 C ATOM 665 C ASP A 42 21.569 4.854 -1.272 1.00 0.00 C ATOM 666 O ASP A 42 21.643 6.077 -1.159 1.00 0.00 O ATOM 667 CB ASP A 42 21.926 3.083 -3.003 1.00 0.00 C ATOM 668 CG ASP A 42 21.439 1.725 -2.536 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.213 1.488 -2.579 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.283 0.900 -2.128 1.00 0.00 O ATOM 0 H ASP A 42 21.736 5.417 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 42 20.024 3.818 -2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.989 3.088 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.934 3.254 -2.624 1.00 0.00 H new ATOM 675 N GLU A 43 21.957 4.013 -0.319 1.00 0.00 N ATOM 676 CA GLU A 43 22.504 4.492 0.945 1.00 0.00 C ATOM 677 C GLU A 43 23.855 5.169 0.732 1.00 0.00 C ATOM 678 O GLU A 43 24.290 5.984 1.546 1.00 0.00 O ATOM 679 CB GLU A 43 22.652 3.334 1.934 1.00 0.00 C ATOM 680 CG GLU A 43 21.411 2.464 2.043 1.00 0.00 C ATOM 681 CD GLU A 43 21.018 2.187 3.481 1.00 0.00 C ATOM 682 OE1 GLU A 43 20.951 3.150 4.273 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.777 1.007 3.813 1.00 0.00 O ATOM 0 H GLU A 43 21.903 2.997 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 43 21.810 5.225 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.495 2.713 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.891 3.736 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.582 2.954 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.588 1.519 1.530 1.00 0.00 H new ATOM 690 N LYS A 44 24.515 4.825 -0.369 1.00 0.00 N ATOM 691 CA LYS A 44 25.816 5.398 -0.692 1.00 0.00 C ATOM 692 C LYS A 44 25.681 6.495 -1.744 1.00 0.00 C ATOM 693 O LYS A 44 26.654 6.852 -2.410 1.00 0.00 O ATOM 694 CB LYS A 44 26.766 4.309 -1.195 1.00 0.00 C ATOM 695 CG LYS A 44 27.613 3.687 -0.098 1.00 0.00 C ATOM 696 CD LYS A 44 29.097 3.882 -0.360 1.00 0.00 C ATOM 697 CE LYS A 44 29.719 2.645 -0.987 1.00 0.00 C ATOM 698 NZ LYS A 44 30.675 1.975 -0.062 1.00 0.00 N ATOM 0 H LYS A 44 24.170 4.152 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 44 26.227 5.838 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.183 3.526 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.424 4.734 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.351 4.132 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.392 2.622 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.242 4.738 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.606 4.112 0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 28.932 1.944 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.237 2.924 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.078 1.136 -0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.440 2.635 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.176 1.685 0.803 1.00 0.00 H new ATOM 712 N ARG A 45 24.471 7.025 -1.888 1.00 0.00 N ATOM 713 CA ARG A 45 24.210 8.081 -2.859 1.00 0.00 C ATOM 714 C ARG A 45 24.416 7.572 -4.283 1.00 0.00 C ATOM 715 O ARG A 45 24.836 8.320 -5.165 1.00 0.00 O ATOM 716 CB ARG A 45 25.123 9.280 -2.598 1.00 0.00 C ATOM 717 CG ARG A 45 25.184 9.693 -1.137 1.00 0.00 C ATOM 718 CD ARG A 45 23.899 10.378 -0.698 1.00 0.00 C ATOM 719 NE ARG A 45 23.671 10.245 0.739 1.00 0.00 N ATOM 720 CZ ARG A 45 23.140 9.165 1.302 1.00 0.00 C ATOM 721 NH1 ARG A 45 22.785 8.129 0.554 1.00 0.00 N ATOM 722 NH2 ARG A 45 22.964 9.119 2.616 1.00 0.00 N ATOM 0 H ARG A 45 23.656 6.741 -1.345 1.00 0.00 H new ATOM 0 HA ARG A 45 23.171 8.393 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 45 26.129 9.041 -2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.776 10.126 -3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 45 25.360 8.814 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 45 26.027 10.366 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.943 11.435 -0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.056 9.949 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 45 23.934 11.024 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.919 8.160 -0.457 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.378 7.301 0.989 1.00 0.00 H new ATOM 0 HH21 ARG A 45 23.236 9.913 3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.556 8.289 3.047 1.00 0.00 H new ATOM 736 N ASN A 46 24.116 6.296 -4.499 1.00 0.00 N ATOM 737 CA ASN A 46 24.269 5.687 -5.816 1.00 0.00 C ATOM 738 C ASN A 46 22.910 5.475 -6.478 1.00 0.00 C ATOM 739 O ASN A 46 22.082 4.706 -5.988 1.00 0.00 O ATOM 740 CB ASN A 46 25.006 4.351 -5.701 1.00 0.00 C ATOM 741 CG ASN A 46 26.184 4.422 -4.747 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.808 5.471 -4.590 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.493 3.301 -4.106 1.00 0.00 N ATOM 0 H ASN A 46 23.766 5.663 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 46 24.855 6.365 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.311 3.584 -5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.358 4.047 -6.687 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.276 3.287 -3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 46 25.948 2.454 -4.267 1.00 0.00 H new ATOM 750 N LEU A 47 22.689 6.161 -7.594 1.00 0.00 N ATOM 751 CA LEU A 47 21.432 6.047 -8.325 1.00 0.00 C ATOM 752 C LEU A 47 21.368 4.734 -9.098 1.00 0.00 C ATOM 753 O LEU A 47 22.158 4.503 -10.013 1.00 0.00 O ATOM 754 CB LEU A 47 21.270 7.227 -9.285 1.00 0.00 C ATOM 755 CG LEU A 47 19.985 8.043 -9.135 1.00 0.00 C ATOM 756 CD1 LEU A 47 20.046 9.297 -9.994 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.772 7.201 -9.502 1.00 0.00 C ATOM 0 H LEU A 47 23.364 6.802 -8.012 1.00 0.00 H new ATOM 0 HA LEU A 47 20.617 6.060 -7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.120 7.897 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.319 6.848 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 47 19.889 8.346 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.123 9.865 -9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.892 9.910 -9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.166 9.016 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.867 7.798 -9.389 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.860 6.867 -10.536 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.719 6.334 -8.844 1.00 0.00 H new ATOM 769 N GLN A 48 20.421 3.880 -8.726 1.00 0.00 N ATOM 770 CA GLN A 48 20.253 2.591 -9.386 1.00 0.00 C ATOM 771 C GLN A 48 18.825 2.421 -9.895 1.00 0.00 C ATOM 772 O GLN A 48 17.895 3.050 -9.388 1.00 0.00 O ATOM 773 CB GLN A 48 20.603 1.452 -8.426 1.00 0.00 C ATOM 774 CG GLN A 48 22.019 1.533 -7.879 1.00 0.00 C ATOM 775 CD GLN A 48 22.177 0.801 -6.560 1.00 0.00 C ATOM 776 OE1 GLN A 48 21.294 1.091 -5.612 1.00 0.00 O flip ATOM 777 NE2 GLN A 48 23.083 -0.016 -6.396 1.00 0.00 N flip ATOM 0 H GLN A 48 19.758 4.057 -7.971 1.00 0.00 H new ATOM 0 HA GLN A 48 20.930 2.559 -10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.899 1.460 -7.593 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.475 0.500 -8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.711 1.113 -8.609 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.294 2.579 -7.745 1.00 0.00 H new ATOM 0 HE21 GLN A 48 23.740 -0.208 -7.153 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.177 -0.501 -5.504 1.00 0.00 H new ATOM 786 N CYS A 49 18.658 1.568 -10.900 1.00 0.00 N ATOM 787 CA CYS A 49 17.343 1.316 -11.479 1.00 0.00 C ATOM 788 C CYS A 49 16.525 0.387 -10.586 1.00 0.00 C ATOM 789 O CYS A 49 16.651 -0.835 -10.666 1.00 0.00 O ATOM 790 CB CYS A 49 17.486 0.706 -12.874 1.00 0.00 C ATOM 791 SG CYS A 49 15.902 0.424 -13.729 1.00 0.00 S ATOM 0 H CYS A 49 19.417 1.039 -11.331 1.00 0.00 H new ATOM 0 HA CYS A 49 16.819 2.269 -11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.104 1.364 -13.485 1.00 0.00 H new ATOM 0 HB3 CYS A 49 18.016 -0.243 -12.791 1.00 0.00 H new ATOM 796 N ILE A 50 15.689 0.976 -9.739 1.00 0.00 N ATOM 797 CA ILE A 50 14.849 0.202 -8.833 1.00 0.00 C ATOM 798 C ILE A 50 13.499 -0.113 -9.468 1.00 0.00 C ATOM 799 O ILE A 50 12.764 0.789 -9.869 1.00 0.00 O ATOM 800 CB ILE A 50 14.618 0.946 -7.505 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.906 0.977 -6.680 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.494 0.289 -6.718 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.492 2.363 -6.526 1.00 0.00 C ATOM 0 H ILE A 50 15.575 1.987 -9.661 1.00 0.00 H new ATOM 0 HA ILE A 50 15.378 -0.729 -8.631 1.00 0.00 H new ATOM 0 HB ILE A 50 14.328 1.973 -7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.705 0.565 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.645 0.329 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.343 0.826 -5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.575 0.316 -7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.757 -0.747 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.403 2.309 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.725 2.771 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.770 3.010 -6.027 1.00 0.00 H new ATOM 815 N CYS A 51 13.179 -1.400 -9.556 1.00 0.00 N ATOM 816 CA CYS A 51 11.917 -1.836 -10.141 1.00 0.00 C ATOM 817 C CYS A 51 10.910 -2.199 -9.054 1.00 0.00 C ATOM 818 O CYS A 51 11.282 -2.449 -7.907 1.00 0.00 O ATOM 819 CB CYS A 51 12.145 -3.036 -11.062 1.00 0.00 C ATOM 820 SG CYS A 51 13.546 -2.837 -12.209 1.00 0.00 S ATOM 0 H CYS A 51 13.777 -2.159 -9.229 1.00 0.00 H new ATOM 0 HA CYS A 51 11.512 -1.010 -10.726 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.313 -3.923 -10.451 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.238 -3.214 -11.640 1.00 0.00 H new ATOM 825 N ASP A 52 9.634 -2.227 -9.422 1.00 0.00 N ATOM 826 CA ASP A 52 8.573 -2.561 -8.480 1.00 0.00 C ATOM 827 C ASP A 52 8.108 -4.001 -8.673 1.00 0.00 C ATOM 828 O ASP A 52 7.613 -4.367 -9.739 1.00 0.00 O ATOM 829 CB ASP A 52 7.391 -1.604 -8.648 1.00 0.00 C ATOM 830 CG ASP A 52 7.598 -0.294 -7.912 1.00 0.00 C ATOM 831 OD1 ASP A 52 8.612 -0.171 -7.193 1.00 0.00 O ATOM 832 OD2 ASP A 52 6.746 0.607 -8.056 1.00 0.00 O ATOM 0 H ASP A 52 9.309 -2.022 -10.367 1.00 0.00 H new ATOM 0 HA ASP A 52 8.972 -2.459 -7.471 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.239 -1.402 -9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.484 -2.084 -8.282 1.00 0.00 H new ATOM 837 N TYR A 53 8.271 -4.814 -7.635 1.00 0.00 N ATOM 838 CA TYR A 53 7.872 -6.215 -7.691 1.00 0.00 C ATOM 839 C TYR A 53 6.726 -6.494 -6.723 1.00 0.00 C ATOM 840 O TYR A 53 6.908 -6.477 -5.505 1.00 0.00 O ATOM 841 CB TYR A 53 9.061 -7.120 -7.366 1.00 0.00 C ATOM 842 CG TYR A 53 9.757 -7.669 -8.591 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.737 -6.933 -9.246 1.00 0.00 C ATOM 844 CD2 TYR A 53 9.435 -8.924 -9.093 1.00 0.00 C ATOM 845 CE1 TYR A 53 11.375 -7.431 -10.366 1.00 0.00 C ATOM 846 CE2 TYR A 53 10.069 -9.430 -10.211 1.00 0.00 C ATOM 847 CZ TYR A 53 11.037 -8.680 -10.844 1.00 0.00 C ATOM 848 OH TYR A 53 11.671 -9.180 -11.959 1.00 0.00 O ATOM 0 H TYR A 53 8.677 -4.527 -6.744 1.00 0.00 H new ATOM 0 HA TYR A 53 7.529 -6.428 -8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.781 -6.559 -6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.717 -7.951 -6.751 1.00 0.00 H new ATOM 0 HD1 TYR A 53 11.005 -5.955 -8.873 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.676 -9.514 -8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 53 12.134 -6.846 -10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.808 -10.408 -10.587 1.00 0.00 H new ATOM 0 HH TYR A 53 11.318 -10.071 -12.164 1.00 0.00 H new ATOM 858 N CYS A 54 5.544 -6.752 -7.274 1.00 0.00 N ATOM 859 CA CYS A 54 4.367 -7.036 -6.461 1.00 0.00 C ATOM 860 C CYS A 54 3.266 -7.672 -7.304 1.00 0.00 C ATOM 861 O CYS A 54 3.036 -8.879 -7.234 1.00 0.00 O ATOM 862 CB CYS A 54 3.850 -5.752 -5.810 1.00 0.00 C ATOM 863 SG CYS A 54 4.323 -5.562 -4.061 1.00 0.00 S ATOM 0 H CYS A 54 5.376 -6.770 -8.280 1.00 0.00 H new ATOM 0 HA CYS A 54 4.655 -7.740 -5.680 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.225 -4.896 -6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.763 -5.731 -5.886 1.00 0.00 H new ATOM 868 N GLU A 55 2.588 -6.851 -8.100 1.00 0.00 N ATOM 869 CA GLU A 55 1.510 -7.333 -8.955 1.00 0.00 C ATOM 870 C GLU A 55 0.355 -7.877 -8.120 1.00 0.00 C ATOM 871 O GLU A 55 0.547 -8.316 -6.986 1.00 0.00 O ATOM 872 CB GLU A 55 2.027 -8.420 -9.900 1.00 0.00 C ATOM 873 CG GLU A 55 1.768 -8.124 -11.368 1.00 0.00 C ATOM 874 CD GLU A 55 1.395 -9.365 -12.156 1.00 0.00 C ATOM 875 OE1 GLU A 55 2.103 -10.385 -12.028 1.00 0.00 O ATOM 876 OE2 GLU A 55 0.393 -9.314 -12.901 1.00 0.00 O ATOM 0 H GLU A 55 2.766 -5.849 -8.170 1.00 0.00 H new ATOM 0 HA GLU A 55 1.144 -6.492 -9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.099 -8.543 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.557 -9.369 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.966 -7.391 -11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.658 -7.674 -11.807 1.00 0.00 H new ATOM 883 N TYR A 56 -0.845 -7.843 -8.688 1.00 0.00 N ATOM 884 CA TYR A 56 -2.033 -8.329 -7.996 1.00 0.00 C ATOM 885 C TYR A 56 -2.326 -9.780 -8.369 1.00 0.00 C ATOM 886 O TYR A 56 -1.476 -10.654 -8.212 1.00 0.00 O ATOM 887 CB TYR A 56 -3.240 -7.451 -8.332 1.00 0.00 C ATOM 888 CG TYR A 56 -4.062 -7.065 -7.123 1.00 0.00 C ATOM 889 CD1 TYR A 56 -3.511 -6.309 -6.096 1.00 0.00 C ATOM 890 CD2 TYR A 56 -5.391 -7.455 -7.009 1.00 0.00 C ATOM 891 CE1 TYR A 56 -4.259 -5.954 -4.990 1.00 0.00 C ATOM 892 CE2 TYR A 56 -6.147 -7.104 -5.907 1.00 0.00 C ATOM 893 CZ TYR A 56 -5.576 -6.354 -4.900 1.00 0.00 C ATOM 894 OH TYR A 56 -6.324 -6.002 -3.801 1.00 0.00 O ATOM 0 H TYR A 56 -1.021 -7.484 -9.626 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.843 -8.279 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.893 -6.545 -8.829 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.877 -7.980 -9.041 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.480 -5.993 -6.163 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.841 -8.043 -7.796 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.815 -5.366 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.179 -7.415 -5.835 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.231 -6.362 -3.894 1.00 0.00 H new TER 904 TYR A 56